Physical Sciences and Mathematics Commons^™

The Stereochemistry Of Selected Supramolecular Complexes Of Cucurbiturils And The Effect Of Homogeneous Equilibria And Electron Transfer Of The Guest, Arumugam Thangavel

Doctoral Dissertations

"From a practical perspective, host-guest complexes are vehicles for understanding and using supramolecular interactions for purposeful function in sensors, molecular machines and switches, while from a fundamental perspective they may lead to novel supramolecular protection schemes in basic organic reactions. This dissertation examines the interactions of cucurbiturils as barrel-shaped hosts, exhibiting a hydrophobic cavity, with substituted benzoylpyrydinium, phenypyrylium, and diazaanthraquinonediium cations as guests. In water, N-methyl-4-(p-substituted benzoyl)pyridinium cations exist in equilibrium with their hydrated forms (gem-diols), whose concentrations depend on the para substituent. In the presence of cucurbit7uril (CB[7]), the benzoyl group shows a preference for the CB[7] cavity, and …

Weak Shear Study Of Galaxy Clusters By Simulated Gravitational Lensing, David Coss

Doctoral Dissertations

"Gravitational lensing has been simulated for numerical galaxy clusters in order to characterize the effects of substructure and shape variations of dark matter halos on the weak lensing properties of clusters. In order to analyze realistic galaxy clusters, 6 high-resolution Adaptive Refinement Tree N-body simulations of clusters with hydrodynamics are used, in addition to a simulation of one group undergoing a merger. For each cluster, the three-dimensional particle distribution is projected perpendicular to three orthogonal lines of sight, providing 21 projected mass density maps. The clusters have representative concentration and mass values for clusters in the concordance cosmology. Two gravitational …

Structure And Content Semantic Similarity Detection Of Extensible Markup Language Documents Using Keys, Waraporn Viyanon

Doctoral Dissertations

"XML (eXtensible Mark-up Language) has become the fundamental standard for efficient data management and exchange. Due to the widespread use of XML for describing and exchanging data on the web, XML-based comparison is central issues in database management and information retrieval. In fact, although many heterogeneous XML sources have similar content, they may be described using different tag names and structures. This work proposes a series of algorithms for detection of structural and content changes among XML data. The first is an algorithm called XDoI (XML Data Integration Based on Content and Structure Similarity Using Keys) that clusters XML documents …

Three-Body Dynamics In Single Ionization Of Atomic Hydrogen By 75 Kev Proton Impact, Aaron C. Laforge

Doctoral Dissertations

"Doubly differential cross sections (DDCS) for single ionization of atomic hydrogen by 75 keV proton impact have been measured as a function of the projectile scattering angle and energy loss. This pure three-body collision system represents a fundamental test case for the study of the reaction dynamics in few-body systems. A comparison between theory and experiment reveals that three-body dynamics is important at all scattering angles, and that an accurate description of the role of the projectile-target nucleus interaction as well as the second order projectile-electron interaction remains a major challenge to theory. However, progress is being made in understanding …

Adsorption And Segmental Dynamics Of Acrylate And Methacrylate Polymers Adsorbed On A Silica Surface, Piyawan Krisanangkura

Doctoral Dissertations

"Poly(isopropyl acrylate)-d₇ (PIPA- d₇) was studied using ²H solid-state NMR and modulated differential scanning calorimetry (MDSC). The polymer was deuterated on the methyl groups and side-chain methine. The PIPA- d₇ was adsorbed onto Cab-O-Sil silica. These two types of deuterons each showed their own characteristic deuterium nuclear magnetic resonance (NMR) spectra for bulk PIPA- d₇. The ²H NMR spectra of adsorbed PIPA- d₇ samples showed the presence of heterogeneity of the segmental dynamics. A residual powder pattern was found in the spectra of the surface samples at higher temperatures, indicating that the segments were tightly attached to the silica. The …

Ground Penetrating Radar Investigations In Upper Kama Potash Mines, Oleg N. Kovin

Doctoral Dissertations

"An understanding of the structure and state of the rock mass surrounding underground openings in the potash mines is critically important for safe mining, planning the methods of extraction of an orebody, and preventing the influx of ground water. Continuous common offset ground penetrating radar (GPR) data were acquired in the potash mine operated by the Joint Stock Company (JSC) "Silvinit" (Russia) as part of an investigation of both pre-existing fractures exposed by mine workings and other anomalous geological structures. During the course of GPR investigation, the electrical properties of salt-bearing units were determined, site-specific data acquisition techniques and object-oriented …

Effect Of Structure And Plasticizer On The Glass Transition Of Adsorbed Polymer, Boonta Hetayothin

Doctoral Dissertations

"The effect of molecular mass on adsorbed poly(methyl methacrylate) (PMMA) on silica was determined using temperature-modulated differential scanning calorimetry (TMDSC). A two-component model, based on loosely-bound polymer (glass transition temperature, T_g, similar to that of bulk) and tightly-bound polymer (T_g higher than that of bulk) was used to interpret the thermograms. Similar amounts of tightly-bound polymer were found for 450 and 85 kDa PMMA (0.78 mg/m²), while the 32 kDa sample had a smaller amount (0.48mg/m²). A comparison of adsorbed PMMA, poly(vinyl acetate) (PVAc), and poly(methyl acrylate) (PMA) on silica was made using the same technique. The …

A Study Of The Growth And Structure Of Chromium And Iron Oxide Films On Pd(001) Using X-Ray Photoelectron Diffraction And Low Energy Electron Diffraction, Tina Dhekial-Phukan

Doctoral Dissertations

"In this study, attempts were made to grow well-ordered chromium- and iron-oxide films on a Pd(001) surface, and two sample preparation techniques, the multilayer and the sequential growth techniques, were used to grow these transition metal oxide films. The study is a part of a larger project that aims to look into the interaction between metal substrates and the overlayers grown on them. Previous studies of oxide films on Ag(001) resulted in the growth of 4-fold and 3-fold symmetry oxide structures from the multilayer and sequential growth techniques respectively. The present investigation's goal was to study how the growth of …

Deadlock Detection And Dihomotopic Reduction Via Progress Shell Decomposition, David Andrew Cape

Doctoral Dissertations

"Deadlock detection for concurrent programs has traditionally been accomplished by symbolic methods or by search of a state transition system. This work examines an approach that uses geometric semantics involving the topological notion of dihomotopy to partition the state space into components, followed by an exhaustive search of the reduced state space. Prior work partitioned the state-space inductively; however, this work shows that a technique motivated by recursion further reduces the size of the state transition system. The reduced state space results in asymptotic improvements in overall runtime for verification. Thus, with efficient partitioning, more efficient deadlock detection and eventually …

Computational Methods For The Discovery And Analysis Of Genes And Other Functional Dna Sequences, Cyriac Kandoth

Doctoral Dissertations

"The need for automating genome analysis is a result of the tremendous amount of genomic data. As of today, a high-throughput DNA sequencing machine can run millions of sequencing reactions in parallel, and it is becoming faster and cheaper to sequence the entire genome of an organism. Public databases containing genomic data are growing exponentially, and hence the rise in demand for intuitive automated methods of DNA analysis and subsequent gene identification. However, the complexity of gene organization makes automation a challenging task, and smart algorithm design and parallelization are necessary to perform accurate analyses in reasonable amounts of time. …

Analysis And Occurrence Of Disinfection By-Products In Fresh And Salt Water, Honglan Shi

Doctoral Dissertations

"Haloacetic acids, trihalomethanes, and bromate are important toxic water disinfection by-products (DBPs) that the US Environmental Protection Agency (USEPA) regulates in drinking water. Iodoacetic acids and halonitromethanes (HNMs) are the unregulated emerging DBPs that have been recently found in the disinfected drinking waters, and which have much higher toxicity than the regulated DBPs. The purpose of this study was to develop new analytical methods for analysis of these emerging DBPs, to study their occurrence in Missouri drinking water systems, and to investigate the occurrence and formation of these DBPs in saltwater and seawater based marine park aquaria. A new rapid …

Capillary Electrophoresis Of Pteridines In Urine And Plants And Quantification Of Pharmaceutical And Personal Care Products In Missouri Waste Water, Stephen E. Gibbons

Doctoral Dissertations

"Capillary electrophoresis (CE) is a powerful technique that separates molecules based on their respective charge and hydrodynamic size. The major advantages of CE are high separation efficiency, small sample volume requirements, simple to no sample preparation and often organic solvents are not required for the separation.

The work presented in this dissertation utilized capillary electrophoresis for the analysis two different classes of compounds in different matrices. The first project investigated pteridines in urine and plants. The second project investigated pharmaceutical and personal care products (PPCP's) in Missouri waste water.

As cancer continues to be one of the top three causes …

Haart Drugs Induce Oxidative Stress And Mitochondrial Dysfunction In Blood-Brain Barrier, Kalyan Reddy Manda

Doctoral Dissertations

"The era of highly active antiretroviral therapy (HAART) has controlled AIDS and its related disorders considerably; however, the prevalence of HIV-1-associated neurocognitive disorders (HAND) has been on the rise in the post-HAART era. In view of these developments, we investigated whether a HAART drug combination of 3'-Azido-2', 3'-deoxythymidine (AZT) and Indinavir (IDV) can alter the functionality of the blood-brain barrier (BBB) endothelial cells, thereby exacerbating the condition. Viability of hCMEC/D3 cells (in vitro model of BBB) that were exposed to the drugs was significantly reduced after a 72 hr treatment, in a dose-dependent manner. Reactive oxygen species (ROS) were highly …

Chemical Bath Deposition And Electrodeposition Of Epitaxial Semiconductor Materials For Application In Photovoltaic Devices, Guojun Mu

Doctoral Dissertations

"This dissertation investigates the chemical bath deposition of zinc oxide and electrodeposition of cuprous iodide on polycrystalline and single crystal substrates. Paper I describes the chemical bath deposition and characterization of titled epitaxial zinc oxide nanospears on Si(001) single crystal substrate. In Paper II, the chemical bath deposition of zinc oxide nanospears from highly alkaline solutions is discussed in detail, including a thermodynamic calculation of saturation and speciation of Zn(II) in aqueous solution, and a kinetic study of the deposition process. In this paper the epitaxial zinc oxide is reported grown on Au(100), (110), and (111) single crystals. Paper III …

Quantum 1/F Noise In Infrared Detectors And Scanning Tunneling Microscopes, Amanda Marie Truong

Doctoral Dissertations

"Noise is, by definition, any random and persistent disturbance, which interferes with the clarity of a signal. Modern electronic devices are designed to limit noise, and in most cases the classical forms of noise have been eliminated or greatly reduced through careful design. However, there is a fundamental, quite unavoidable type of noise, called quantum 1/f noise, which occurs at low frequencies and is a fundamental consequence of the discrete nature of the charge carriers themselves. This quantum 1/f noise is present in any physical cross section or process rate, such as carrier mobility, diffusion rates and scattering processes. Although …

Nmr Investigations Of Biomass-To-Fuel Conversions By Hydrothermal Processes, Wenjia Zhang

Doctoral Dissertations

"Biofuels have gained significant attention as the most promising alternative energy and fuel supply for the near future because of two dominant reasons: first, biofuels are environmentally friendly; and second, they afford a sustainable technology. Biofuels can be synthesized from biomass by several different processes, among which, hydrothermal conversion is considered to be more energy efficient. However, scientific efforts to improve hydrothermal biomass-to-fuel (HT-BTF) conversion efficiencies are severely limited because little is known about the salient reaction mechanisms and intermediates. This study is aimed at a better understanding of the hydrothermal biomass degradation kinetics by advanced NMR spectroscopy and, accordingly, …

A Study Of Synchronization Of Nonlinear Oscillators: Application To Epileptic Seizures, Daisuke Takeshita

Doctoral Dissertations

"This dissertation focuses on several problems in neuroscience from the perspective of nonlinear dynamics and stochastic processes. The first part concerns a method to visualize the idea of the power spectrum of spike trains, which has an educational value to introductory students in biophysics. The next part consists of experimental and computational work on drug-induced epileptic seizures in the rat neocortex. In the experimental part, spatiotemporal patterns of electrical activities in the rat neocortex are measured using voltage-sensitive dye imaging. Epileptic regions show well-synchronized, in-phase activity during epileptic seizures. In the computational part, a network of a Hodgkin-Huxley type neocortical …

Investigating The Source Of Thermal Anomalies In The Northern United Arab Emirates (Uae) Desert Using Geophysical Methods, Khalid Ahmad

Doctoral Dissertations

"We conducted geophysical surveys to investigate the source of thermal anomalies and to delineate any potential water transport pathways from the recharge zones in the Oman Mountains to the location of the temporal thermal anomalies within the desert plain of the United Arab Emirates (UAE). In the visible region of the spectrum of both ASTER and MODIS satellite images, the desert plain of the UAE appears as a bare sandy surface. However, detailed examination of these images in the thermal bands reveal cooler thermal anomalies within the desert plain following major rainfall events. This anomaly has a cooler surface of …

Theoretical Study Of Electron Impact-Ionization Of Molecules, Ola Al-Hagan

Doctoral Dissertations

"There has been impressive progress in the area of theoretical treatments of electron impact ionization (e,2e) of atoms and molecules in the last decade. Most recently, low to intermediate incident electron energies have been reported for molecular systems. In this dissertation, different theoretical models will be used to calculate the fully differential cross section (FDCS) for (e,2e) processes for low to intermediate incident electron energies for a variety of final state electron angles and energies for the diatomic molecules H₂ and N₂, the triatomic molecule H₂O, and the biomolecule HCOOH.

In addition, there has been a large amount of interest …

Protein Secondary Structure Prediction Using Blast And Relaxed Threshold Rule Induction From Coverings, Leong Lee

Doctoral Dissertations

"Protein structure prediction has always been an important research area in bioinformatics and biochemistry. Despite the recent breakthrough of combining multiple sequence alignment information and artificial intelligence algorithms to predict protein secondary structure, the Q₃ accuracy of various computational prediction methods rarely has exceeded 75%; this status has changed little since 2003 when Rost stated that "the currently best methods reach a level around 77% three-state per-residue accuracy." The application of artificial neural network methods to this problem is revolutionary in the sense that those techniques employ the homologues of proteins for training and prediction. In this dissertation, a different …